tritert-butylphosphanium;trifluoroborane;fluoride

C12H28BF4P — CID 91654223

IUPACtritert-butylphosphanium;trifluoroborane;fluoride
SMILESCC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.FB(F)F.[F-]
InChIInChI=1S/C12H27P.BF3.FH/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3)4;/h1-9H3;;1H
InChIKeyYSTLBJVHZMEEAC-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.48
Rot. Bonds

About tritert-butylphosphanium;trifluoroborane;fluoride

tritert-butylphosphanium;trifluoroborane;fluoride (PubChem CID 91654223) has the molecular formula C12H28BF4P and a molecular weight of 290.13 g/mol. Its IUPAC name is tritert-butylphosphanium;trifluoroborane;fluoride.

Molecular Properties

Compound Nametritert-butylphosphanium;trifluoroborane;fluoride
PubChem CID91654223
Molecular FormulaC12H28BF4P
Molecular Weight290.13 g/mol
Exact Mass290.20
IUPAC Nametritert-butylphosphanium;trifluoroborane;fluoride
SMILESCC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.FB(F)F.[F-]
InChIInChI=1S/C12H27P.BF3.FH/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3)4;/h1-9H3;;1H
InChIKeyYSTLBJVHZMEEAC-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methylpropan-2-amine;trifluoroborane
CID 175302179
dicesium;palladium;bis(tritert-butylphosphanium);carbonate
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cycloocta-1,5-diene;ditert-butyl-[[tert-butyl(methyl)phosphaniumyl]methyl]phosphanium;rhodium;trifluoroborane;fluoride
CID 171370942
tert-butylaluminum(2+) difluoride
CID 87203786
CID 160554271
CID 160554271
lanthanum;trifluoroborane
CID 158062378
gallane;trifluoroborane
CID 175070384
CID 159609690
CID 159609690
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
alumane;titanium;trifluoroborane
CID 175073952
2,2-difluoropropane
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Frequently Asked Questions

What is the IUPAC name of tritert-butylphosphanium;trifluoroborane;fluoride?
The IUPAC name of tritert-butylphosphanium;trifluoroborane;fluoride (CID 91654223) is tritert-butylphosphanium;trifluoroborane;fluoride.
What is the SMILES notation for tritert-butylphosphanium;trifluoroborane;fluoride?
The canonical SMILES for tritert-butylphosphanium;trifluoroborane;fluoride is CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.FB(F)F.[F-].
What is the InChIKey of tritert-butylphosphanium;trifluoroborane;fluoride?
The InChIKey is YSTLBJVHZMEEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.BF3.FH/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3)4;/h1-9H3;;1H.
What are the key properties of tritert-butylphosphanium;trifluoroborane;fluoride?
tritert-butylphosphanium;trifluoroborane;fluoride has a molecular weight of 290.13 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butylphosphanium;trifluoroborane;fluoride is sourced from PubChem (CID 91654223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).